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GIJ

GIJ
Name:	(2~{R})-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]piperazine-2-carboxamide
Formula:	C20 H26 F3 N5 O2 S
SMILES:	CCc1c([nH]c(C)c1C(C)=O)c2csc(n2)N3CCNC[CH]3C(=O)NCCC(F)(F)F
InChi:	InChI=1S/C20H26F3N5O2S/c1-4-13-16(12(3)29)11(2)26-17(13)14-10-31-19(27-14)28-8-7-24-9-15(28)18(30)25-6-5-20(21,22)23/h10,15,24,26H,4-9H2,1-3H3,(H,25,30)/t15-/m1/s1
Definition date:	2022-02-03
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	(2~{R})-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]piperazine-2-carboxamide

GIU

GIU
Name:	~{N}-[(3~{S})-pyrrolidin-3-yl]isoquinoline-5-sulfonamide
Formula:	C13 H15 N3 O2 S
SMILES:	O=[S](=O)(N[CH]1CCNC1)c2cccc3cnccc23
InChi:	InChI=1S/C13H15N3O2S/c17-19(18,16-11-4-6-15-9-11)13-3-1-2-10-8-14-7-5-12(10)13/h1-3,5,7-8,11,15-16H,4,6,9H2/t11-/m0/s1
Definition date:	2022-02-03
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	~{N}-[(3~{S})-pyrrolidin-3-yl]isoquinoline-5-sulfonamide

GIZ

GIZ
Name:	1-[4-ethyl-5-[2-[4-[(1-ethylpiperidin-4-yl)methyl]piperazin-1-yl]-1,3-thiazol-4-yl]-2-methyl-1~{H}-pyrrol-3-yl]ethanone
Formula:	C24 H37 N5 O S
SMILES:	CCN1CCC(CC1)CN2CCN(CC2)c3scc(n3)c4[nH]c(C)c(C(C)=O)c4CC
InChi:	InChI=1S/C24H37N5OS/c1-5-20-22(18(4)30)17(3)25-23(20)21-16-31-24(26-21)29-13-11-28(12-14-29)15-19-7-9-27(6-2)10-8-19/h16,19,25H,5-15H2,1-4H3
Definition date:	2022-02-03
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	1-[4-ethyl-5-[2-[4-[(1-ethylpiperidin-4-yl)methyl]piperazin-1-yl]-1,3-thiazol-4-yl]-2-methyl-1~{H}-pyrrol-3-yl]ethanone

GJ4

GJ4
Name:	(2~{R})-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]-~{N}-(4-oxidanylbutyl)piperazine-2-carboxamide
Formula:	C21 H31 N5 O3 S
SMILES:	CCc1c([nH]c(C)c1C(C)=O)c2csc(n2)N3CCNC[CH]3C(=O)NCCCCO
InChi:	InChI=1S/C21H31N5O3S/c1-4-15-18(14(3)28)13(2)24-19(15)16-12-30-21(25-16)26-9-8-22-11-17(26)20(29)23-7-5-6-10-27/h12,17,22,24,27H,4-11H2,1-3H3,(H,23,29)/t17-/m1/s1
Definition date:	2022-02-03
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	(2~{R})-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]-~{N}-(4-oxidanylbutyl)piperazine-2-carboxamide

GJC

GJC
Name:	2-[4-[[4-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]methyl]-1,2,3-triazol-1-yl]ethanamide
Formula:	C21 H28 N8 O2 S
SMILES:	CCc1c([nH]c(C)c1C(C)=O)c2csc(n2)N3CCN(CC3)Cc4cn(CC(N)=O)nn4
InChi:	InChI=1S/C21H28N8O2S/c1-4-16-19(14(3)30)13(2)23-20(16)17-12-32-21(24-17)28-7-5-27(6-8-28)9-15-10-29(26-25-15)11-18(22)31/h10,12,23H,4-9,11H2,1-3H3,(H2,22,31)
Definition date:	2022-02-03
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	2-[4-[[4-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]methyl]-1,2,3-triazol-1-yl]ethanamide

GJI

GJI
Name:	3-methyl-1-(2-piperazin-1-yl-1,3-thiazol-4-yl)-2,5,6,7-tetrahydroisoindol-4-one
Formula:	C16 H20 N4 O S
SMILES:	Cc1[nH]c(c2CCCC(=O)c12)c3csc(n3)N4CCNCC4
InChi:	InChI=1S/C16H20N4OS/c1-10-14-11(3-2-4-13(14)21)15(18-10)12-9-22-16(19-12)20-7-5-17-6-8-20/h9,17-18H,2-8H2,1H3
Definition date:	2022-02-03
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	3-methyl-1-(2-piperazin-1-yl-1,3-thiazol-4-yl)-2,5,6,7-tetrahydroisoindol-4-one

GKI

GKI
Name:	1-[2-methyl-4-(3-methylbutyl)-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone
Formula:	C19 H28 N4 O S
SMILES:	CC(C)CCc1c([nH]c(C)c1C(C)=O)c2csc(n2)N3CCNCC3
InChi:	InChI=1S/C19H28N4OS/c1-12(2)5-6-15-17(14(4)24)13(3)21-18(15)16-11-25-19(22-16)23-9-7-20-8-10-23/h11-12,20-21H,5-10H2,1-4H3
Definition date:	2022-02-03
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	1-[2-methyl-4-(3-methylbutyl)-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone

GQF

GQF
Name:	1-[4-cyclopentyl-2-methyl-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone
Formula:	C19 H26 N4 O S
SMILES:	CC(=O)c1c(C)[nH]c(c2csc(n2)N3CCNCC3)c1C4CCCC4
InChi:	InChI=1S/C19H26N4OS/c1-12-16(13(2)24)17(14-5-3-4-6-14)18(21-12)15-11-25-19(22-15)23-9-7-20-8-10-23/h11,14,20-21H,3-10H2,1-2H3
Definition date:	2022-02-03
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	1-[4-cyclopentyl-2-methyl-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone

GQX

GQX
Name:	2-[4-(3-methyl-4-oxidanylidene-2,5,6,7-tetrahydroisoindol-1-yl)-1,3-thiazol-2-yl]guanidine
Formula:	C13 H15 N5 O S
SMILES:	Cc1[nH]c(c2CCCC(=O)c12)c3csc(N=C(N)N)n3
InChi:	InChI=1S/C13H15N5OS/c1-6-10-7(3-2-4-9(10)19)11(16-6)8-5-20-13(17-8)18-12(14)15/h5,16H,2-4H2,1H3,(H4,14,15,17,18)
Definition date:	2022-02-03
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	2-[4-(3-methyl-4-oxidanylidene-2,5,6,7-tetrahydroisoindol-1-yl)-1,3-thiazol-2-yl]guanidine

IY8

IY8
Name:	methoxy-[(~{E},3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]tridec-11-enyl]phosphinous acid
Formula:	C19 H35 O6 P
SMILES:	COC(=O)[CH]([CH](CCCCCCCC=CC)CC[P](O)(=O)OC)C(C)=O
InChi:	InChI=1S/C19H35O6P/c1-5-6-7-8-9-10-11-12-13-17(14-15-26(22,23)25-4)18(16(2)20)19(21)24-3/h5-6,17-18H,7-15H2,1-4H3,(H,22,23)/b6-5+/t17-,18+/m1/s1
Definition date:	2022-04-20
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	methoxy-[(~{E},3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]tridec-11-enyl]phosphinic acid

IYB

IYB
Name:	undecyl dihydrogen phosphate
Formula:	C11 H25 O4 P
SMILES:	CCCCCCCCCCCO[P](O)(O)=O
InChi:	InChI=1S/C11H25O4P/c1-2-3-4-5-6-7-8-9-10-11-15-16(12,13)14/h2-11H2,1H3,(H2,12,13,14)
Definition date:	2022-04-20
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	undecyl dihydrogen phosphate

UA6

UA6
Name:	2-[2,4-bis(trifluoromethyl)phenyl]-N-phenyl-N-[3-(pyridazin-3-yl)prop-2-yn-1-yl]acetamide
Formula:	C23 H15 F6 N3 O
SMILES:	FC(F)(F)c1ccc(CC(=O)N(CC#Cc2cccnn2)c2ccccc2)c(c1)C(F)(F)F
InChi:	InChI=1S/C23H15F6N3O/c24-22(25,26)17-11-10-16(20(15-17)23(27,28)29)14-21(33)32(19-8-2-1-3-9-19)13-5-7-18-6-4-12-30-31-18/h1-4,6,8-12,15H,13-14H2
Definition date:	2022-08-15
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	2-[2,4-bis(trifluoromethyl)phenyl]-N-phenyl-N-[3-(pyridazin-3-yl)prop-2-yn-1-yl]acetamide

UAF

UAF
Name:	N-methyl-N-phenyl[(3aM)-3-(trifluoromethyl)cyclopenta[c]pyrazol-2(1H)-yl]ethanethioamide
Formula:	C16 H14 F3 N3 S
SMILES:	FC(F)(F)C1=C2C=CC=C2NN1CC(=S)N(C)c1ccccc1
InChi:	InChI=1S/C16H14F3N3S/c1-21(11-6-3-2-4-7-11)14(23)10-22-15(16(17,18)19)12-8-5-9-13(12)20-22/h2-9,20H,10H2,1H3
Definition date:	2022-08-15
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	N-methyl-N-phenyl[(3aM)-3-(trifluoromethyl)cyclopenta[c]pyrazol-2(1H)-yl]ethanethioamide

FI5

FI5
Name:	4-piperidin-4-yloxypyridine-2-carboxamide
Formula:	C11 H15 N3 O2
SMILES:	NC(=O)c1cc(OC2CCNCC2)ccn1
InChi:	InChI=1S/C11H15N3O2/c12-11(15)10-7-9(3-6-14-10)16-8-1-4-13-5-2-8/h3,6-8,13H,1-2,4-5H2,(H2,12,15)
Definition date:	2022-01-24
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	4-piperidin-4-yloxypyridine-2-carboxamide

FI9

FI9
Name:	5-(4-azanylpiperidin-1-yl)carbonyl-1~{H}-pyridin-2-one
Formula:	C11 H15 N3 O2
SMILES:	NC1CCN(CC1)C(=O)C2=CNC(=O)C=C2
InChi:	InChI=1S/C11H15N3O2/c12-9-3-5-14(6-4-9)11(16)8-1-2-10(15)13-7-8/h1-2,7,9H,3-6,12H2,(H,13,15)
Definition date:	2022-01-24
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	5-(4-azanylpiperidin-1-yl)carbonyl-1~{H}-pyridin-2-one

FIY

FIY
Name:	2-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]guanidine
Formula:	C13 H17 N5 O S
SMILES:	CCc1c([nH]c(C)c1C(C)=O)c2csc(N=C(N)N)n2
InChi:	InChI=1S/C13H17N5OS/c1-4-8-10(7(3)19)6(2)16-11(8)9-5-20-13(17-9)18-12(14)15/h5,16H,4H2,1-3H3,(H4,14,15,17,18)
Definition date:	2022-01-24
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	2-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]guanidine

A9X

A9X
Name:	(2R)-4-(5,6-dimethoxy-1-benzoselenophen-2-yl)-2-ethyl-4-oxidanylidene-butanoic acid
Formula:	C16 H18 O5 Se
SMILES:	CC[CH](CC(=O)c1[se]c2cc(OC)c(OC)cc2c1)C(O)=O
InChi:	InChI=1S/C16H18O5Se/c1-4-9(16(18)19)5-11(17)15-7-10-6-12(20-2)13(21-3)8-14(10)22-15/h6-9H,4-5H2,1-3H3,(H,18,19)/t9-/m1/s1
Definition date:	2022-03-16
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	(2~{R})-4-(5,6-dimethoxy-1-benzoselenophen-2-yl)-2-ethyl-4-oxidanylidene-butanoic acid

0TL

0TL
Name:	[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
Formula:	C11 H16 N5 O8 P
SMILES:	Nc1ncnc2n(cnc12)[C]3(CO)O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
InChi:	InChI=1S/C11H16N5O8P/c12-9-6-10(14-3-13-9)16(4-15-6)11(2-17)8(19)7(18)5(24-11)1-23-25(20,21)22/h3-5,7-8,17-19H,1-2H2,(H2,12,13,14)(H2,20,21,22)/t5-,7-,8-,11-/m1/s1
Definition date:	2021-06-14
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

FS6

FS6
Name:	1-[4-ethyl-2-methyl-5-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]-1~{H}-pyrrol-3-yl]ethanone
Formula:	C15 H21 N3 O S
SMILES:	CCc1c([nH]c(C)c1C(C)=O)c2csc(CCNC)n2
InChi:	InChI=1S/C15H21N3OS/c1-5-11-14(10(3)19)9(2)17-15(11)12-8-20-13(18-12)6-7-16-4/h8,16-17H,5-7H2,1-4H3
Definition date:	2022-01-25
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	1-[4-ethyl-2-methyl-5-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]-1~{H}-pyrrol-3-yl]ethanone

FWR

FWR
Name:	1-[5-[2-(3-azanylpropyl)-1,3-thiazol-4-yl]-4-ethyl-2-methyl-1~{H}-pyrrol-3-yl]ethanone
Formula:	C15 H21 N3 O S
SMILES:	CCc1c([nH]c(C)c1C(C)=O)c2csc(CCCN)n2
InChi:	InChI=1S/C15H21N3OS/c1-4-11-14(10(3)19)9(2)17-15(11)12-8-20-13(18-12)6-5-7-16/h8,17H,4-7,16H2,1-3H3
Definition date:	2022-01-26
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	1-[5-[2-(3-azanylpropyl)-1,3-thiazol-4-yl]-4-ethyl-2-methyl-1~{H}-pyrrol-3-yl]ethanone

G0I

G0I
Name:	1-[4-ethyl-2-methyl-5-[2-(piperazin-1-ylmethyl)-1,3-thiazol-4-yl]-1~{H}-pyrrol-3-yl]ethanone
Formula:	C17 H24 N4 O S
SMILES:	CCc1c([nH]c(C)c1C(C)=O)c2csc(CN3CCNCC3)n2
InChi:	InChI=1S/C17H24N4OS/c1-4-13-16(12(3)22)11(2)19-17(13)14-10-23-15(20-14)9-21-7-5-18-6-8-21/h10,18-19H,4-9H2,1-3H3
Definition date:	2022-01-26
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	1-[4-ethyl-2-methyl-5-[2-(piperazin-1-ylmethyl)-1,3-thiazol-4-yl]-1~{H}-pyrrol-3-yl]ethanone

G1U

G1U
Name:	1-[5-[2-[(4-azanylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]-4-ethyl-2-methyl-1~{H}-pyrrol-3-yl]ethanone
Formula:	C18 H26 N4 O S
SMILES:	CCc1c([nH]c(C)c1C(C)=O)c2csc(CN3CCC(N)CC3)n2
InChi:	InChI=1S/C18H26N4OS/c1-4-14-17(12(3)23)11(2)20-18(14)15-10-24-16(21-15)9-22-7-5-13(19)6-8-22/h10,13,20H,4-9,19H2,1-3H3
Definition date:	2022-01-26
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	1-[5-[2-[(4-azanylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]-4-ethyl-2-methyl-1~{H}-pyrrol-3-yl]ethanone

LQ6

LQ6
Name:	(2~{S})-4-[[2,4-bis(oxidanylidene)-1~{H}-pyrimidin-6-yl]carbonyl]-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide
Formula:	C21 H19 Cl2 N5 O4 S
SMILES:	Clc1ccc(cc1Cl)N2CCN(C[CH]2C(=O)NCc3sccc3)C(=O)C4=CC(=O)NC(=O)N4
InChi:	InChI=1S/C21H19Cl2N5O4S/c22-14-4-3-12(8-15(14)23)28-6-5-27(20(31)16-9-18(29)26-21(32)25-16)11-17(28)19(30)24-10-13-2-1-7-33-13/h1-4,7-9,17H,5-6,10-11H2,(H,24,30)(H2,25,26,29,32)/t17-/m0/s1
Definition date:	2022-07-07
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	(2~{S})-4-[[2,4-bis(oxidanylidene)-1~{H}-pyrimidin-6-yl]carbonyl]-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide

LQL

LQL
Name:	(2~{S})-1-(3,4-dichlorophenyl)-4-pyridin-3-ylcarbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide
Formula:	C22 H20 Cl2 N4 O2 S
SMILES:	Clc1ccc(cc1Cl)N2CCN(C[CH]2C(=O)NCc3sccc3)C(=O)c4cccnc4
InChi:	InChI=1S/C22H20Cl2N4O2S/c23-18-6-5-16(11-19(18)24)28-9-8-27(22(30)15-3-1-7-25-12-15)14-20(28)21(29)26-13-17-4-2-10-31-17/h1-7,10-12,20H,8-9,13-14H2,(H,26,29)/t20-/m0/s1
Definition date:	2022-07-07
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	(2~{S})-1-(3,4-dichlorophenyl)-4-pyridin-3-ylcarbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide

I5G

I5G
Name:	1-chloranyl-~{N}-[(~{S})-(3-chloranyl-4-cyano-phenyl)-[(2~{R},4~{S})-4-oxidanylpyrrolidin-2-yl]methyl]-7-methoxy-isoquinoline-6-carboxamide
Formula:	C23 H20 Cl2 N4 O3
SMILES:	COc1cc2c(Cl)nccc2cc1C(=O)N[CH]([CH]3C[CH](O)CN3)c4ccc(C#N)c(Cl)c4
InChi:	InChI=1S/C23H20Cl2N4O3/c1-32-20-9-16-12(4-5-27-22(16)25)6-17(20)23(31)29-21(19-8-15(30)11-28-19)13-2-3-14(10-26)18(24)7-13/h2-7,9,15,19,21,28,30H,8,11H2,1H3,(H,29,31)/t15-,19+,21-/m0/s1
Definition date:	2022-06-10
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	1-chloranyl-~{N}-[(~{S})-(3-chloranyl-4-cyano-phenyl)-[(2~{R},4~{S})-4-oxidanylpyrrolidin-2-yl]methyl]-7-methoxy-isoquinoline-6-carboxamide

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